tert-butyl 4-[2-[4-(3-fluoranyl-4-sulfamoyl-phenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(3-fluoranyl-4-sulfamoyl-phenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(3-fluoro-4-sulfamoyl-phenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-(3-fluoro-4-sulfamoylphenyl)-1-piperazinyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(3-fluoro-4-sulfamoylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-(3-fluoro-4-sulfamoyl-phenyl)piperazino]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H35FN4O4S MolecularWeight: 470.601103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCN(CC2)C3=CC(=C(C=C3)S(=O)(=O)N)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCN(CC2)C3=CC(=C(C=C3)S(=O)(=O)N)F

InChI

InChI=1S/C22H35FN4O4S/c1-22(2,3)31-21(28)27-10-7-17(8-11-27)6-9-25-12-14-26(15-13-25)18-4-5-20(19(23)16-18)32(24,29)30/h4-5,16-17H,6-15H2,1-3H3,(H2,24,29,30)